==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 23-JUL-13 4LSR . COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP120 WITH LOOP D AND V5 FR . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.ZHOU,S.MOQUIN,P.D.KWONG . 770 7 12 7 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 257 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 95 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 6 13 7 9 6 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 5 3 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 44 G V 0 0 170 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.5 -23.7 15.5 31.0 2 45 G W - 0 0 77 105,-0.0 2,-0.3 0, 0.0 345,-0.2 -0.916 360.0-138.8-153.2 174.7 -20.6 13.5 31.9 3 46 G K E -A 346 0A 127 343,-2.0 343,-3.4 -2,-0.3 2,-0.0 -0.988 32.4 -93.2-143.0 153.1 -18.1 11.0 30.5 4 47 G D E +A 345 0A 101 -2,-0.3 2,-0.3 341,-0.2 341,-0.2 -0.355 58.1 149.7 -60.0 141.3 -16.4 7.9 31.8 5 48 G A - 0 0 20 339,-1.5 2,-0.4 2,-0.0 339,-0.2 -0.982 41.4-124.0-165.4 166.4 -13.0 8.6 33.3 6 49 G D + 0 0 112 -2,-0.3 2,-0.3 337,-0.1 339,-0.0 -0.975 32.7 165.4-118.7 132.1 -10.5 7.4 35.9 7 50 G T - 0 0 29 -2,-0.4 2,-0.5 97,-0.0 -2,-0.0 -0.954 48.0 -85.0-138.7 161.6 -9.3 9.7 38.7 8 51 G T - 0 0 115 -2,-0.3 2,-0.2 95,-0.0 49,-0.0 -0.550 51.0-158.0 -65.4 115.3 -7.4 9.2 42.0 9 52 G L - 0 0 14 -2,-0.5 2,-0.3 94,-0.1 94,-0.2 -0.505 3.2-140.7 -88.7 162.9 -10.1 8.4 44.5 10 53 G F E -E 102 0B 95 92,-2.4 92,-3.3 -2,-0.2 2,-0.3 -0.937 12.5-128.4-122.0 152.7 -9.9 8.8 48.3 11 54 G a E -Ef 101 31B 3 19,-0.5 21,-2.1 -2,-0.3 2,-0.3 -0.695 18.4-169.1 -98.9 150.3 -11.2 6.6 51.0 12 55 G A E +Ef 100 32B 3 88,-2.4 88,-2.9 -2,-0.3 2,-0.3 -0.958 14.3 159.1-131.9 151.7 -13.3 7.6 54.0 13 56 G S E -Ef 99 33B 4 19,-2.4 21,-1.2 -2,-0.3 86,-0.1 -0.949 50.1-112.4-157.4 177.9 -14.2 5.5 57.1 14 57 G D + 0 0 118 84,-0.5 85,-0.1 -2,-0.3 14,-0.1 -0.141 57.7 160.2-109.4 35.7 -15.4 5.6 60.7 15 58 G A - 0 0 27 17,-0.2 2,-0.6 83,-0.1 -2,-0.1 -0.145 41.7-124.0 -54.0 149.9 -12.0 4.4 61.9 16 59 G K > - 0 0 105 1,-0.1 3,-1.1 2,-0.0 12,-0.2 -0.907 12.3-153.8-100.9 122.8 -11.2 5.0 65.5 17 60 G A T 3 S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.725 92.6 54.0 -69.8 -23.7 -7.9 6.9 65.9 18 61 G H T 3 S+ 0 0 151 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.484 87.0 106.3 -89.9 -4.6 -7.2 5.5 69.4 19 62 G E < - 0 0 67 -3,-1.1 -4,-0.0 1,-0.1 0, 0.0 -0.431 55.8-158.8 -74.1 149.6 -7.5 1.9 68.2 20 63 G T + 0 0 112 -2,-0.1 73,-0.4 4,-0.0 -1,-0.1 0.458 58.6 118.4-102.2 -9.0 -4.4 -0.3 67.8 21 64 G E S > S- 0 0 7 1,-0.1 4,-2.0 71,-0.1 3,-0.3 -0.422 72.9-126.8 -56.3 130.9 -6.3 -2.6 65.5 22 65 G V H > S+ 0 0 16 71,-2.3 4,-2.5 1,-0.3 5,-0.2 0.746 103.1 52.2 -67.2 -30.8 -4.4 -2.4 62.2 23 66 G H H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.917 112.1 47.9 -67.6 -42.3 -7.3 -1.5 59.9 24 67 G N H > S+ 0 0 9 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.882 112.1 50.1 -62.5 -40.1 -8.3 1.4 62.2 25 68 G V H X S+ 0 0 66 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.953 114.5 43.8 -64.8 -48.1 -4.6 2.5 62.3 26 69 G W H >X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.951 115.0 47.1 -59.9 -52.1 -4.3 2.4 58.6 27 70 G A H 3X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.744 102.8 66.3 -65.5 -23.0 -7.6 4.1 57.8 28 71 G T H 3< S+ 0 0 61 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.918 116.9 23.7 -67.5 -41.3 -6.9 6.8 60.4 29 72 G H H << S+ 0 0 116 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.614 128.9 46.3 -96.7 -14.9 -4.0 8.2 58.4 30 73 G A H < S+ 0 0 40 -4,-1.9 -19,-0.5 -5,-0.2 2,-0.3 0.516 112.6 41.8-108.6 -7.9 -5.0 7.0 55.0 31 74 G a E < S-f 11 0B 17 -4,-1.7 -19,-0.3 -5,-0.2 3,-0.1 -0.880 71.7-125.5-130.8 165.5 -8.7 8.0 54.9 32 75 G V E -f 12 0B 70 -21,-2.1 -19,-2.4 -2,-0.3 -17,-0.2 -0.689 45.8 -80.5 -99.1 163.6 -10.9 10.8 56.0 33 76 G P E -f 13 0B 108 0, 0.0 -19,-0.2 0, 0.0 -1,-0.2 -0.197 57.6 -91.7 -53.9 152.4 -14.0 10.6 58.3 34 77 G T - 0 0 31 -21,-1.2 -23,-0.0 -22,-0.1 -21,-0.0 -0.397 46.2 -97.4 -63.8 144.6 -17.2 9.4 56.7 35 78 G D - 0 0 73 1,-0.2 -1,-0.1 -3,-0.1 96,-0.0 -0.552 30.8-141.5 -64.0 114.5 -19.5 12.1 55.4 36 79 G P S S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.724 93.5 18.5 -51.7 -25.6 -22.0 12.5 58.3 37 80 G N S S- 0 0 114 2,-0.0 2,-0.2 -3,-0.0 -2,-0.0 -0.580 80.7-166.6-150.7 79.6 -24.8 12.9 55.7 38 81 G P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.464 13.7-138.0 -76.9 138.8 -24.1 11.6 52.2 39 82 G Q - 0 0 115 -2,-0.2 91,-0.6 2,-0.0 2,-0.4 -0.690 14.7-169.2 -96.9 146.9 -26.4 12.6 49.4 40 83 G E E -B 129 0A 75 -2,-0.3 2,-0.5 89,-0.2 89,-0.2 -0.993 6.8-160.5-133.6 127.3 -27.6 10.3 46.6 41 84 G I E -B 128 0A 103 87,-2.5 87,-2.9 -2,-0.4 2,-0.3 -0.940 9.6-142.5-114.2 126.4 -29.4 11.7 43.6 42 85 G H E -B 127 0A 113 -2,-0.5 2,-0.9 85,-0.3 85,-0.3 -0.651 10.7-138.0 -87.6 142.8 -31.5 9.5 41.4 43 86 G L > - 0 0 39 83,-2.4 3,-1.8 -2,-0.3 83,-0.5 -0.805 13.0-153.9-107.8 94.5 -31.5 10.2 37.6 44 87 G E T 3 S+ 0 0 188 -2,-0.9 -1,-0.2 1,-0.3 82,-0.1 0.782 83.4 12.8 -32.6 -73.6 -35.1 9.9 36.4 45 88 G N T 3 S+ 0 0 151 80,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.198 94.9 126.8-109.9 42.8 -34.7 8.9 32.7 46 89 G V < - 0 0 23 -3,-1.8 80,-0.4 78,-0.2 2,-0.4 -0.728 32.8-175.3-101.0 148.4 -31.0 7.9 32.5 47 90 G T + 0 0 86 -2,-0.3 2,-0.3 78,-0.1 77,-0.2 -0.950 13.9 178.9-142.2 120.1 -29.6 4.7 31.2 48 91 G E E -I 123 0C 31 75,-1.7 75,-1.6 -2,-0.4 2,-0.5 -0.853 26.6-120.0-126.5 155.4 -25.9 4.1 31.5 49 92 G N E -I 122 0C 105 -2,-0.3 2,-0.2 73,-0.2 71,-0.0 -0.858 28.9-172.6-101.2 123.5 -23.5 1.3 30.6 50 93 G F E -I 121 0C 9 71,-2.2 71,-2.1 -2,-0.5 2,-0.1 -0.687 13.8-170.9-105.3 162.3 -21.4 -0.4 33.3 51 94 G N E > -I 120 0C 58 -2,-0.2 3,-2.0 69,-0.2 69,-0.2 -0.623 3.5-175.0-152.7 91.5 -18.6 -2.9 33.2 52 95 G M T 3 S+ 0 0 0 67,-2.8 3,-0.4 1,-0.3 68,-0.1 0.680 85.8 60.5 -62.2 -18.2 -17.5 -4.3 36.5 53 96 G W T 3 S+ 0 0 19 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.581 108.3 43.2 -87.1 -11.8 -14.7 -6.2 34.9 54 97 G K S < S+ 0 0 146 -3,-2.0 2,-0.4 4,-0.0 -1,-0.3 -0.663 80.8 131.1-131.0 75.5 -13.1 -2.9 33.6 55 98 G N >> - 0 0 13 -3,-0.4 3,-2.0 -2,-0.2 4,-0.7 -0.943 45.5-157.2-136.3 107.3 -13.4 -0.6 36.6 56 99 G N H 3> S+ 0 0 54 -2,-0.4 4,-1.6 1,-0.3 5,-0.1 0.682 89.4 75.9 -61.4 -16.7 -10.3 1.3 37.8 57 100 G M H 3> S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.878 92.0 55.4 -57.9 -36.4 -11.9 1.6 41.2 58 101 G V H <> S+ 0 0 0 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.892 104.1 52.5 -65.9 -39.8 -10.9 -2.1 41.7 59 102 G E H X S+ 0 0 51 -4,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.855 110.0 49.3 -63.2 -36.4 -7.3 -1.3 40.9 60 103 G Q H X S+ 0 0 22 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.922 109.6 48.7 -74.6 -44.0 -7.3 1.5 43.6 61 104 G M H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.919 110.6 53.3 -59.7 -41.2 -8.8 -0.6 46.3 62 105 G Q H X S+ 0 0 28 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.945 108.5 49.0 -58.4 -50.4 -6.2 -3.3 45.5 63 106 G E H X S+ 0 0 134 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.895 113.9 48.2 -51.7 -43.9 -3.4 -0.8 45.8 64 107 G D H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 112.6 44.2 -68.6 -48.1 -4.9 0.3 49.1 65 108 G V H X S+ 0 0 5 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.901 112.5 52.4 -67.6 -40.2 -5.4 -3.1 50.7 66 109 G I H X S+ 0 0 40 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.950 112.4 47.4 -55.1 -47.2 -2.0 -4.3 49.6 67 110 G S H X S+ 0 0 46 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.859 109.2 53.0 -62.6 -39.2 -0.6 -1.2 51.3 68 111 G L H X S+ 0 0 3 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.866 114.3 43.0 -62.7 -36.7 -2.7 -1.9 54.4 69 112 G W H >X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 3,-0.7 0.925 107.4 56.9 -79.0 -44.9 -1.3 -5.4 54.6 70 113 G D H 3< S+ 0 0 75 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.793 118.3 34.1 -58.5 -29.9 2.4 -4.6 53.8 71 114 G Q H 3< S+ 0 0 102 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.513 121.8 46.6-104.9 -5.9 2.5 -2.1 56.7 72 115 G S H << S+ 0 0 10 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.2 0.843 95.1 73.8-100.0 -45.7 0.1 -4.0 59.1 73 116 G L < - 0 0 12 -4,-2.5 18,-0.1 -5,-0.2 169,-0.0 -0.463 60.1-161.8 -78.1 144.5 1.3 -7.6 59.1 74 117 G Q - 0 0 79 16,-0.2 2,-0.1 -2,-0.2 -1,-0.1 -0.669 8.6-176.1-131.0 76.5 4.5 -8.5 60.9 75 118 G P - 0 0 0 0, 0.0 213,-0.3 0, 0.0 3,-0.2 -0.425 31.3-132.4 -67.1 146.1 5.9 -11.9 59.8 76 119 G b S S+ 0 0 24 211,-2.1 11,-2.2 1,-0.3 2,-0.3 0.825 95.4 18.0 -64.4 -32.2 9.0 -13.1 61.6 77 120 G V E -JK 86 287D 23 210,-1.6 210,-3.1 9,-0.2 2,-0.4 -0.992 63.4-164.8-144.5 133.4 10.4 -13.8 58.2 78 121 G K E -JK 85 286D 49 7,-2.4 7,-2.9 -2,-0.3 2,-0.4 -0.977 10.3-167.8-113.5 132.2 9.6 -12.7 54.6 79 122 G L E +JK 84 285D 67 206,-3.6 206,-2.5 -2,-0.4 2,-0.3 -0.981 13.0 166.6-119.3 127.8 11.1 -14.6 51.7 80 123 G T E > -J 83 0D 49 3,-2.2 3,-1.0 -2,-0.4 2,-1.0 -0.762 64.3 -64.8-143.8 95.0 11.0 -13.3 48.2 81 124 G G T 3 S- 0 0 86 -2,-0.3 203,-0.0 1,-0.3 344,-0.0 -0.522 125.9 -4.1 67.9-101.1 13.2 -14.9 45.6 82 198 G G T 3 S+ 0 0 90 -2,-1.0 2,-0.5 -3,-0.1 -1,-0.3 0.106 115.7 98.8-109.5 19.9 16.7 -14.1 46.8 83 199 G S E < -J 80 0D 45 -3,-1.0 -3,-2.2 2,-0.0 2,-0.5 -0.933 44.6-177.3-115.4 126.6 15.6 -12.0 49.7 84 200 G V E -J 79 0D 102 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.2 -0.938 7.6-175.9-121.7 108.7 15.4 -13.1 53.4 85 201 G I E -J 78 0D 73 -7,-2.9 -7,-2.4 -2,-0.5 2,-0.3 -0.903 2.2-170.8-110.7 114.1 14.1 -10.5 55.8 86 202 G K E +J 77 0D 170 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.757 20.7 142.0 -99.3 148.2 14.0 -11.3 59.5 87 203 G Q - 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